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Substance Name: Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-phenyl-, dihydrobromide
RN: 80784-98-1
InChIKey: VNSGEGGEJJYXTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-N3-O.2Br-H

Molecular Weight

  • 591.428
 
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Names and Synonyms

Synonym

  • N-(p-(3-(Diisopropylamino)propoxy)phenyl)-N'-phenyl-benzamidine dihydrobromide

Systematic Name

  • Benzamidine, N-(p-(3-(diisopropylamino)propoxy)phenyl)-N'-phenyl-, dihydrobromide

Registry Numbers

CAS Registry Number

  • 80784-98-1

System Generated Number

  • 0080784981

Molecular Formulas

Molecular Formula

  • C28-H35-N3-O.2Br-H

Molecular Formula Fragments

  • Br-H
  • C28-H35-N3-O
  • COMPONENT

Structure Descriptors

InChI

1S/C28H35N3O.2BrH/c1-22(2)31(23(3)4)20-11-21-32-27-18-16-26(17-19-27)30-28(24-12-7-5-8-13-24)29-25-14-9-6-10-15-25;;/h5-10,12-19,22-23H,11,20-21H2,1-4H3,(H,29,30);2*1H

InChIKey

VNSGEGGEJJYXTJ-UHFFFAOYSA-N

Smiles

C(\c1ccccc1)(Nc1ccc(OCCC[NH+](C(C)C)C(C)C)cc1)=[N+]/c1ccccc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 140mg/kg (140mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.
mouse LD50 oral 347mg/kg (347mg/kg)   Journal of Medicinal Chemistry. Vol. 25, Pg. 359, 1982.